========================
Atom types (GROMOS 54A7)
========================

Defined atom types in the GROMOS 54A7 force field.

====== =========== =============================================
Type   Mass        Description
====== =========== =============================================
    O  15.99940    carbonyl oxygen (C=O)
   OM  15.99940    carboxyl oxygen (CO-)
   OA  15.99940    hydroxyl, sugar or ester oxygen
   OE  15.99940    ether or ester oxygen
   OW  15.99940    water oxygen
    N  14.00670    peptide nitrogen (N or NH)
   NT  14.00670    terminal nitrogen (NH2)
   NL  14.00670    terminal nitrogen (NH3)
   NR  14.00670    aromatic nitrogen
   NZ  14.00670    Arg NH (NH2)
   NE  14.00670    Arg NE (NH)
    C  12.01100    bare carbon
  CH0  12.0110     bare sp3 carbon, 4 bound heavy atoms
  CH1  13.01900    aliphatic or sugar CH-group
  CH2  14.02700    aliphatic or sugar CH2-group
  CH3  15.03500    aliphatic CH3-group
  CH4  16.04300    methane
 CH2r  14.02700    CH2-group in a ring
  CR1  13.01900    aromatic CH-group 
   HC   1.00800    hydrogen bound to carbon
    H   1.00800    hydrogen not bound to carbon
  DUM   0.00000    dummy atom, no idea what the mass should be. PT3-99
    S  32.06000    sulfur
 CU1+  63.54600    copper (charge 1+)
 CU2+  63.54600    copper (charge 2+)
   FE  55.84700    iron (heme)
 ZN2+  65.37000    zinc (charge 2+)
 MG2+  24.30500    magnesium (charge 2+)
 CA2+  40.08000    calcium (charge 2+)
    P  30.97380    phosphor
   AR  39.94800    argon
    F  18.99840    fluor (non-ionic)
   CL  35.45300    chlorine (non-ionic)
   BR  79.90400    bromine (non-ionic)
 CMET  15.035      CH3-group in methanol (solvent)
 OMET  15.9994     oxygen in methanol (solvent)
  NA+  22.9898     sodium (charge 1+)
  CL-  35.45300    chlorine (charge 1-)
 CCHL  12.011      carbon in chloroform (solvent)
CLCHL  35.453      chloride in chloroform (solvent)
 HCHL  1.008       hydrogen in chloroform (solvent)
SDMSO  32.06000    DMSO Sulphur (solvent)
CDMSO  15.03500    DMSO Carbon (solvent)
ODMSO  15.99940    DMSO Oxygen (solvent)
 CCL4  12.011      carbon in carbontetrachloride (solvent)
CLCL4  35.453      chloride in carbontetrachloride (solvent)
 FTFE  18.99840    fluor in trifluoroethanol
 CTFE  12.01100    carbon in trifluoroethanol
CHTFE  14.0270     CH2-group in trifluoroethanol
 OTFE  15.99940    oxygen in trifluoroethanol
CUREA  12.01100    carbon in urea
OUREA  15.99940    oxygen in urea
NUREA  14.00670    nitrogen in urea
   SI  28.08	   silicon
 MNH3   0          Dummy mass in rigid tetraedrical NH3 group
   MW   0          Dummy mass in rigid tyrosine rings
 CH3p  15.03500    Polar aliphatic CH3-group 
====== =========== =============================================